N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine

C16H21NO4 — CID 62452104

IUPACN-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C16H21NO4/c1-4-17-9-12-5-16(20-10-12)11-21-15-7-13(18-2)6-14(8-15)19-3/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyZWBBDRXYAIVPOR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.99
Rot. Bonds8

About N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine

N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62452104) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62452104
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C16H21NO4/c1-4-17-9-12-5-16(20-10-12)11-21-15-7-13(18-2)6-14(8-15)19-3/h5-8,10,17H,4,9,11H2,1-3H3
InChIKeyZWBBDRXYAIVPOR-UHFFFAOYSA-N
XLogP2.99
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 64601411
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62451469
N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
CID 62450269
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269
N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 66227074
N-[[3-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62453859
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]ethanamine
CID 114470778
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887
N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62449573

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine (CID 62452104) is N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine is CCNCc1coc(COc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is ZWBBDRXYAIVPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-4-17-9-12-5-16(20-10-12)11-21-15-7-13(18-2)6-14(8-15)19-3/h5-8,10,17H,4,9,11H2,1-3H3.
What are the key properties of N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine?
N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 291.35 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62452104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).